BDBM398510 (rac)-{2-[(1-Methoxybutan-2-yl)amino]pyrimidin-5-yl}[4-(7-methoxy-3,4-dihydroisoquinolin-2(1H)-yl)piperidin-1-yl]methanone::US10323020, Example 4

SMILES: CCC(COC)Nc1ncc(cn1)C(=O)N1CCC(CC1)N1CCc2ccc(OC)cc2C1

InChI Key: InChIKey=ABXSKFQJDIZFGU-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 398510   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM398510 ((rac)-{2-[(1-Methoxybutan-2-yl)amino]pyrimidin-5-y...) Show SMILES CCC(COC)Nc1ncc(cn1)C(=O)N1CCC(CC1)N1CCc2ccc(OC)cc2C1 Show InChI InChI=1S/C25H35N5O3/c1-4-21(17-32-2)28-25-26-14-20(15-27-25)24(31)29-11-8-22(9-12-29)30-10-7-18-5-6-23(33-3)13-19(18)16-30/h5-6,13-15,21-22H,4,7-12,16-17H2,1-3H3,(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description Antagonism against the adrenoreceptor α1A was tested using a recombinant human α1A receptor CHO cell line which additionally also recombina...				Bioorg Med Chem Lett 19: 3344-7 (2009) BindingDB Entry DOI: 10.7270/Q2PN9803
					More data for this Ligand-Target Pair